Molecular Dynamics and Deep Learning for Materials Including TMDC & Oxide Moire Structures: III

Presentations

• An Accurate Machine Learning Potential for Many-Component Molten Salts

  ORAL · Invited

  March 20, 2025, 3:00 PM – March 20, 2025, 3:36 PM

  Publication: "SuperSalt: Equivariant Neural Network Force Fields for Multicomponent Molten Salts System", Chen Shen, Siamak Attarian, Yixuan Zhang, Hongbin Zhang, Mark Asta, Izabela Szlufarska, Dane Morgan, submitted December 2024.

  Presenters

  • Dane Morgan

    • University of Wisconsin - Madison

  Authors

  • Dane Morgan

    • University of Wisconsin - Madison

  • Chen Shen

    • Univ of Wisconsin - Madison

  • Siamak Attarian

    • Univ of Wisconsin - Madison

  • Yixuan Zhang

    • Technische Universitat Darmstadt

  • Hongbin Zhang

    • Technische Universitat Darmstadt

  • Mark David Asta

    • University of California, Berkeley

  • Izabela A Szlufarska

    • University of Wisconsin - Madison

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• Microstructural Geometry Revealed by NMR Lineshape Analysis

  ORAL

  March 20, 2025, 3:36 PM – March 20, 2025, 3:48 PM

  Publication: Niknam M, Bouchard LS. Microstructural Geometry Revealed by NMR Lineshape Analysis. arXiv preprint arXiv:2410.09700. 2024 Oct 13.
  

  Presenters

  • Mohamad Niknam

    • University of California Los Angeles

  Authors

  • Mohamad Niknam

    • University of California Los Angeles

  • Louis-S. Bouchard

    • UCLA

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• Alkali hydroxide (LiOH, NaOH, KOH) in water: Structural and vibrational properties, including neutron scattering results

  ORAL

  March 20, 2025, 3:48 PM – March 20, 2025, 4:00 PM

  Publication: Ma R, Baradwaj N, Nomura K ichi, et al. Alkali hydroxide (LiOH, NaOH, KOH) in water: Structural and vibrational properties, including neutron scattering results. The Journal of chemical physics. 2024;160(13). doi:10.1063/5.0186058

  Presenters

  • RURU MA

    • University of Southern California

  Authors

  • RURU MA

    • University of Southern California

  • Nitish Baradwaj

    • University of Southern California

  • Ken-ichi Nomura

    • University of Southern California

  • Aravind Krishnamurthy

    • Texas A&M University

  • Rajiv K Kalia

    • University of Southern California

  • Aiichiro Nakano

    • University of Southern California

  • Priya Vashishta

    • University of Southern California

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• Accelerating Quantum Light-Matter Dynamics on Graphics Processing Units

  ORAL

  March 20, 2025, 4:00 PM – March 20, 2025, 4:12 PM

  Publication: T. M. Razakh, T. Linker, Y. Luo, R. K. Kalia, K. Nomura, P. Vashishta, and A. Nakano, Proceedings of the International Workshop on Parallel and Distributed Scientific and Engineering Computing, PDSEC, pp. 1057-1066 (IEEE, San Francisco, CA, 2024).
  

  Presenters

  • Taufeq Mohammed Razakh

    • University of Southern California

  Authors

  • Taufeq Mohammed Razakh

    • University of Southern California

  • Thomas M Linker

    • Stanford University
    • SLAC

  • Rajiv K Kalia

    • University of Southern California

  • Ken-ichi Nomura

    • University of Southern California

  • Priya Vashishta

    • University of Southern California

  • Aiichiro Nakano

    • University of Southern California

  • Ye Luo

    • Argonne National Laboratory

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• Investigation of Defect Formation in YMnO₃ under Far-From-Equilibrium Conditions

  ORAL

  March 20, 2025, 4:12 PM – March 20, 2025, 4:24 PM

  Presenters

  • Tian Sang

    • University of Southern California

  Authors

  • Tian Sang

    • University of Southern California

  • Jingxin Zhang

    • University of Southern California

  • Feng Ye

    • Oak Ridge National Laboratory

  • Jiaqiang Yan

    • Oak Ridge National Laboratory

  • Despina A Louca

    • University of Virginia

  • Ken-ichi Nomura

    • University of Southern California

  • Rajiv K Kalia

    • University of Southern California

  • Priya Vashishta

    • University of Southern California

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• Lightwave-driven Haldane model in two-dimensional materials

  ORAL · Invited

  March 20, 2025, 4:24 PM – March 20, 2025, 5:00 PM

  Publication: Mitra et al., Nature 628, 752-757 (2024).

  Presenters

  • Matthias F Kling

    • Stanford University

  Authors

  • Matthias F Kling

    • Stanford University

  • Shubhadeep F Biswas

    • SLAC National Accelerator Laboratory
    • SLAC

  • Alvaro Jimenez-Galan

    • Instituto de Ciencia de Materiales de Madrid

  • Rui Silva

    • ICMM

  • Sambit Mitra

    • Max Planck Institute of Quantum Optics

  • Mario Aulich

    • SLAC National Accelerator Laboratory

  • Marcel Neuhaus

    • SLAC National Accelerator Laboratory

  • Vladimir Pervak

    • LMU Munich

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• Revealing Anharmonic Interactions as the Key Driver for Phase Transition in Charge Density Waves

  ORAL

  March 20, 2025, 5:00 PM – March 20, 2025, 5:12 PM

  Presenters

  • Sohee Park

    • Kyung Hee University - Seoul

  Authors

  • Sohee Park

    • Kyung Hee University - Seoul

  • Changwon Park

    • Korea Institute for Advanced Study

  • Young-Kyun Kwon

    • Kyung Hee University - Seoul

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• Non-equilibrium variable distributions in Lennard-Jones MD systems

  ORAL

  March 20, 2025, 5:12 PM – March 20, 2025, 5:24 PM

  Publication: We will publish a preprint of the same title in late Fall 2024

  Presenters

  • Giorgi Tsereteli

    • Washington University, St. Louis

  Authors

  • Giorgi Tsereteli

    • Washington University, St. Louis

  • Zohar Nussinov

    • Washington University in Saint Louis

  • Kenneth F Kelton

    • Washington University, St. Louis

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• Optimal control simulations of many-body quantum systems by synergism of discrete real-time learning and quantum optimal control theory

  ORAL

  March 20, 2025, 5:24 PM – March 20, 2025, 5:36 PM

  Publication: S. Gui, T.-S. Ho, and H. Rabitz, Optimal control simulations of many-body quantum systems by synergism of discrete real-time learning and quantum optimal control theory, In preparation (2024).

  Presenters

  • Shaojun Gui

    • Princeton University

  Authors

  • Shaojun Gui

    • Princeton University

  • Tak-San Ho

    • PRINCETON UNIVERSITY

  • Herschel A Rabitz

    • PRINCETON UNIVERSITY
    • Princeton University

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• Ice/Au Interfaces: Investigating Polarization under an External Bias Potential

  ORAL

  March 20, 2025, 5:36 PM – March 20, 2025, 5:48 PM

  Publication: Polarization of normal ice interface under an external bias potential (manuscript)
  

  Presenters

  • Graciele M Arvelos

    • Institute of Theoretical Physics

  Authors

  • Graciele M Arvelos

    • Institute of Theoretical Physics

  • Alexandre R Rocha

    • Instituto de Fisica Teorica - UNESP

  • Anthony Mannino

    • Stony Brook University (SUNY)

  • Marivi Fernandez-Serra

    • Stony Brook University

  • Luana Pedroza

    • Institute of Physics - University of Sao Paulo

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